N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C18H22N4O — CID 108988786

IUPACN-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-15(16-7-3-2-4-8-16)20-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10,15H,11-14H2,1H3,(H,20,23)
InChIKeyIVXAADJTQSAVKX-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.67
Rot. Bonds3

About N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108988786) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108988786
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(NC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O/c1-15(16-7-3-2-4-8-16)20-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10,15H,11-14H2,1H3,(H,20,23)
InChIKeyIVXAADJTQSAVKX-UHFFFAOYSA-N
XLogP2.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-chloro-4-fluorophenyl)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 94659172
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
N-(1-phenylethyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113107350
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-[1-(4-hydroxyphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108871232
4-(4-acetamidophenyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113107336
N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53370981
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368538
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108988786) is N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide is CC(NC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is IVXAADJTQSAVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15(16-7-3-2-4-8-16)20-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10,15H,11-14H2,1H3,(H,20,23).
What are the key properties of N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108988786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).